497223-28-6
中文名称
TAK-652
英文名称
Cenicriviroc
CAS
497223-28-6
更新日期
2024/06/12 17:31:28
分子式
C41H52N4O4S.CH4O3S
分子量
793.05
MOL 文件
497223-28-6.mol
497223-28-6 结构式
基本信息
中文别名
CENICRIVIROC MESYLATE,TAK-652 MESYLATETBR-652 MESYLATE,TAK652,TAK 652
英文别名
TAK-652 MesylateTBR-652) mesylate
Cenicriviroc mesilate
CENICRIVIROC MESYLATE
TAK-652
TAK652
TAK 652
TBR-652
TBR 652
TBR652
CENICRIVIROC.
(5E)-8-[4-(2-Butoxyethoxy)phenyl]-1-isobutyl-N-(4-{(S)-[(1-propyl-1H-imidazol-5-yl)methyl]sulfinyl}phenyl)-1,2,3,4-tetrahydro-1-benzazocine-5-carboxamide
(S,E)-8-(4-(2-butoxyethoxy)phenyl)-1-isobutyl-N-(4-(((1-propyl-1H-imidazol-5-yl)methyl)sulfinyl)phenyl)-1,2,3,4-tetrahydrobenzo[b]azocine-5-carboxamide methanesulfonate
(5E)-8-[4-(2-Butoxyethoxy)phenyl]-1-isobutyl-N-(4-{(S)-[(1-propyl-1H-imidazol-5-yl)methyl]sulfinyl}phenyl)-1,2,3,4-tetrahydro-1-benzazocine-5-carboxamide methanesulfonate (1:1
1-Benzazocine-5-carboxamide,8-[4-(2-butoxyethoxy)phenyl]-1,2,3,4-tetrahydro-1-(2-methylpropyl)-N-[4-[(S)-[(1-propyl-1H-imidazol-5-yl)methyl]sulfinyl]phenyl]-,monomethanesulfonate
物理化学性质
熔点145.5-147.5 °C(Solv: 2-butanone (78-93-3))
储存条件-20°C储存
溶解度DMSO:100.0(Max Conc. mg/mL);126.1(Max Conc. mM)
形态Solid
颜色Light yellow to yellow
InChIKeyIXPBPUPDRDCRSY-MXSQBSGCNA-N
SMILESC(N1CCCC(=CC2=CC(C3C=CC(=CC=3)OCCOCCCC)=CC=C21)C(=O)NC1C=CC(=CC=1)[S@@](=O)CC1=CN=CN1CCC)C(C)C.S(O)(=O)(=O)C |c:5,&1:36,r|